SCHEMBL13508342

SCHEMBL13508342

CCCN(CC(C)O)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC2A1 P11166 1/20 0.44
HTR6 P50406 5/20 0.44
PFKFB3 Q16875 7/20 0.43
PFKFB4 Q16877 7/20 0.43
AKR1B1 P15121 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13508294 1.00 CMA1 (0.46) CMA1NPSR1L3MBTL1SLC2A1HTR6
SCHEMBL13508282 0.90 CMA1 (0.45) CMA1NPSR1L3MBTL1SLC2A1HTR6
SCHEMBL13508390 0.88 CMA1 (0.37) CMA1NPSR1L3MBTL1SLC2A1HTR6
SCHEMBL13508391 0.88 CMA1 (0.37) CMA1NPSR1L3MBTL1SLC2A1HTR6
SCHEMBL13508348 0.87 PER2 (0.43) CMA1HTR6PFKFB4
SCHEMBL13508408 0.86 CMA1 (0.45) CMA1NPSR1L3MBTL1SLC2A1HTR6
SCHEMBL3687739 0.85 SLC2A1 (0.44) CMA1NPSR1L3MBTL1SLC2A1HTR6
SCHEMBL3687742 0.85 SLC2A1 (0.44) CMA1NPSR1L3MBTL1SLC2A1HTR6
SCHEMBL13508319 0.85 CMA1 (0.48) CMA1NPSR1L3MBTL1SLC2A1HTR6
SCHEMBL13508384 0.84 LMNA (0.38) CMA1NPSR1L3MBTL1SLC2A1HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed